BDBM50030713 5-n-Butyl-4-[[2'-[N-(tert-butoxycarbonyl)sulfamoyl]biphenyl-4yl]methyl]-2-[2-chloro-5-(propionylamino)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one::CHEMBL334300::N-{3-[3-Butyl-5-oxo-4-(2'-(N-t-butyloxycarbonyl)-Sulfanamido-biphenyl-4-ylmethyl)-4,5-dihydro-[1,2,4]triazol-1-yl]-4-chloro-phenyl}-propionamide

SMILES CCCCc1nn(-c2cc(NC(=O)CC)ccc2Cl)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C

InChI Key InChIKey=BRBKSPFRJQPDPQ-UHFFFAOYSA-N

Data  10 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50030713   

TargetType-1 angiotensin II receptor(RABBIT)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50030713(5-n-Butyl-4-[[2'-[N-(tert-butoxycarbonyl)sulfamoyl...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)CC)ccc2Cl)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C33H38ClN5O6S/c1-6-8-13-29-36-39(27-20-24(18-19-26(27)34)35-30(40)7-2)32(42)38(29)21-22-14-16-23(17-15-22)25-11-9-10-12-28(25)46(43,44)37-31(41)45-33(3,4)5/h9-12,14-20H,6-8,13,21H2,1-5H3,(H,35,40)(H,37,41)
Affinity DataIC50: 0.210nMAssay Description:In vitro inhibitory activity against Angiotensin II receptor, type 1 in rabbit aorta membrane preparations.More data for this Ligand-Target Pair
TargetType-2 angiotensin II receptor(RAT)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50030713(5-n-Butyl-4-[[2'-[N-(tert-butoxycarbonyl)sulfamoyl...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)CC)ccc2Cl)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C33H38ClN5O6S/c1-6-8-13-29-36-39(27-20-24(18-19-26(27)34)35-30(40)7-2)32(42)38(29)21-22-14-16-23(17-15-22)25-11-9-10-12-28(25)46(43,44)37-31(41)45-33(3,4)5/h9-12,14-20H,6-8,13,21H2,1-5H3,(H,35,40)(H,37,41)
Affinity DataIC50: 1.60nMAssay Description:In vitro inhibitory activity against Angiotensin II receptor, type 2 in rat midbrain membrane preparations.More data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor(RABBIT)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50030713(5-n-Butyl-4-[[2'-[N-(tert-butoxycarbonyl)sulfamoyl...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)CC)ccc2Cl)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C33H38ClN5O6S/c1-6-8-13-29-36-39(27-20-24(18-19-26(27)34)35-30(40)7-2)32(42)38(29)21-22-14-16-23(17-15-22)25-11-9-10-12-28(25)46(43,44)37-31(41)45-33(3,4)5/h9-12,14-20H,6-8,13,21H2,1-5H3,(H,35,40)(H,37,41)
Affinity DataIC50: 0.210nMAssay Description:Tested for in vitro binding affinity against angiotensin I (AT1) receptor to competitively block the specific binding of [125I]- [Sar1,Ile8] AII to a...More data for this Ligand-Target Pair
TargetType-2 angiotensin II receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50030713(5-n-Butyl-4-[[2'-[N-(tert-butoxycarbonyl)sulfamoyl...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)CC)ccc2Cl)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C33H38ClN5O6S/c1-6-8-13-29-36-39(27-20-24(18-19-26(27)34)35-30(40)7-2)32(42)38(29)21-22-14-16-23(17-15-22)25-11-9-10-12-28(25)46(43,44)37-31(41)45-33(3,4)5/h9-12,14-20H,6-8,13,21H2,1-5H3,(H,35,40)(H,37,41)
Affinity DataIC50: 5.80nMAssay Description:In vitro inhibitory activity against Angiotensin II receptor type 2 in human adrenal membrane preparations.More data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor(RABBIT)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50030713(5-n-Butyl-4-[[2'-[N-(tert-butoxycarbonyl)sulfamoyl...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)CC)ccc2Cl)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C33H38ClN5O6S/c1-6-8-13-29-36-39(27-20-24(18-19-26(27)34)35-30(40)7-2)32(42)38(29)21-22-14-16-23(17-15-22)25-11-9-10-12-28(25)46(43,44)37-31(41)45-33(3,4)5/h9-12,14-20H,6-8,13,21H2,1-5H3,(H,35,40)(H,37,41)
Affinity DataIC50: 0.210nMAssay Description:Antagonist activity at Oryctolagus cuniculus (rabbit) aortic AT1 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
TargetType-2 angiotensin II receptor(RAT)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50030713(5-n-Butyl-4-[[2'-[N-(tert-butoxycarbonyl)sulfamoyl...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)CC)ccc2Cl)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C33H38ClN5O6S/c1-6-8-13-29-36-39(27-20-24(18-19-26(27)34)35-30(40)7-2)32(42)38(29)21-22-14-16-23(17-15-22)25-11-9-10-12-28(25)46(43,44)37-31(41)45-33(3,4)5/h9-12,14-20H,6-8,13,21H2,1-5H3,(H,35,40)(H,37,41)
Affinity DataIC50: 0.890nMAssay Description:In vitro inhibitory activity against angiotensin II type 2 receptor in rat adrenal membrane preparations.More data for this Ligand-Target Pair
TargetType-2 angiotensin II receptor(RAT)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50030713(5-n-Butyl-4-[[2'-[N-(tert-butoxycarbonyl)sulfamoyl...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)CC)ccc2Cl)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C33H38ClN5O6S/c1-6-8-13-29-36-39(27-20-24(18-19-26(27)34)35-30(40)7-2)32(42)38(29)21-22-14-16-23(17-15-22)25-11-9-10-12-28(25)46(43,44)37-31(41)45-33(3,4)5/h9-12,14-20H,6-8,13,21H2,1-5H3,(H,35,40)(H,37,41)
Affinity DataIC50: 1.60nMAssay Description:In vitro binding affinity against angiotensin II (AT2) receptor to competitively block the specific binding of [125I]- [Sar1,Ile8] AII to a rat mid b...More data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor(RABBIT)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50030713(5-n-Butyl-4-[[2'-[N-(tert-butoxycarbonyl)sulfamoyl...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)CC)ccc2Cl)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C33H38ClN5O6S/c1-6-8-13-29-36-39(27-20-24(18-19-26(27)34)35-30(40)7-2)32(42)38(29)21-22-14-16-23(17-15-22)25-11-9-10-12-28(25)46(43,44)37-31(41)45-33(3,4)5/h9-12,14-20H,6-8,13,21H2,1-5H3,(H,35,40)(H,37,41)
Affinity DataIC50: 0.210nMAssay Description:Antagonist activity at AT1 receptor in rabbit aorta membranesMore data for this Ligand-Target Pair
In DepthDetails Article
TargetType-1 angiotensin II receptor(RABBIT)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50030713(5-n-Butyl-4-[[2'-[N-(tert-butoxycarbonyl)sulfamoyl...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)CC)ccc2Cl)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C33H38ClN5O6S/c1-6-8-13-29-36-39(27-20-24(18-19-26(27)34)35-30(40)7-2)32(42)38(29)21-22-14-16-23(17-15-22)25-11-9-10-12-28(25)46(43,44)37-31(41)45-33(3,4)5/h9-12,14-20H,6-8,13,21H2,1-5H3,(H,35,40)(H,37,41)
Affinity DataIC50: 0.210nMAssay Description:Antagonist activity at Oryctolagus cuniculus (rabbit) aortic AT1 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
TargetType-1 angiotensin II receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50030713(5-n-Butyl-4-[[2'-[N-(tert-butoxycarbonyl)sulfamoyl...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)CC)ccc2Cl)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C33H38ClN5O6S/c1-6-8-13-29-36-39(27-20-24(18-19-26(27)34)35-30(40)7-2)32(42)38(29)21-22-14-16-23(17-15-22)25-11-9-10-12-28(25)46(43,44)37-31(41)45-33(3,4)5/h9-12,14-20H,6-8,13,21H2,1-5H3,(H,35,40)(H,37,41)
Affinity DataIC50: 0.210nMAssay Description:In vitro inhibitory activity against Angiotensin II receptor, type 1 in rabbit aorta membrane preparations.More data for this Ligand-Target Pair